SCHEMBL29079451

SCHEMBL29079451

CN(C)c1ccccc1.O=C(O)c1ccccc1C(=O)OCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.77
HPGD P15428 3/20 0.67
MAPT P10636 3/20 0.67
TDP1 Q9NUW8 4/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
TSHR P16473 3/20 0.57
MAPK1 P28482 2/20 0.57
CYP3A4 P08684 2/20 0.57
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
RAB9A P51151 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29687907 0.87 ALDH1A1 (1.00) ALDH1A1HPGDMAPTTDP1L3MBTL1
SCHEMBL116566 0.87 ALDH1A1 (1.00) ALDH1A1HPGDMAPTTDP1L3MBTL1
Benzyl Salicylate SCHEMBL29079462 0.87 TDP1 (0.77) ALDH1A1HPGDMAPTTDP1L3MBTL1
SCHEMBL9057293 0.86 ALDH1A1 (0.96) ALDH1A1HPGDMAPTTDP1L3MBTL1
SCHEMBL3424984 0.86 ALDH1A1 (0.96) ALDH1A1HPGDMAPTTDP1L3MBTL1
Benzyl Benzoate SCHEMBL29079453 0.83 ALDH1A1 (0.88) ALDH1A1HPGDMAPTTDP1TSHR
Ethylene Glycol SCHEMBL11543264 0.83 ALDH1A1 (0.90) ALDH1A1HPGDMAPTTDP1L3MBTL1
SCHEMBL27635031 0.83 ALDH1A1 (0.90) ALDH1A1HPGDMAPTTDP1L3MBTL1
SCHEMBL29079458 0.82 ALDH1A1 (0.86) ALDH1A1HPGDMAPTTDP1L3MBTL1
SCHEMBL50441 0.82 ALDH1A1 (0.89) ALDH1A1HPGDMAPTTDP1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116804825-A Composition for forming silicon-containing metal hard mask and pattern forming method 信越化学工业株式会社 2023-09-26 CN disclosed